4-methylbenzenesulfonic acid; 1,2,3,4,5-pentamethylcyclopentane; zirconium(2+)

Systemtic Name: 4-methylbenzenesulfonic acid; 1,2,3,4,5-pentamethylcyclopentane; zirconium(2+) Openeye Name: 4-methylbenzenesulfonic acid; 1,2,3,4,5-pentamethylcyclopentane; zirconium(2+) CAS Name: 4-methylbenzenesulfonic acid; 1,2,3,4,5-pentamethylcyclopentane; zirconium(2+) IUPAC Name: 4-methylbenzenesulfonic acid; 1,2,3,4,5-pentamethylcyclopentane; zirconium(2+) Traditional Name: 1,2,3,4,5-pentamethylcyclopentane; tosylic acid; zirconium(2+) Formula: C34H46O6S2Zr+2 MolecularWeight: 706.07944

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)O.CC1=CC=C(C=C1)S(=O)(=O)O.C[C]1[C]([C]([C]([C]1C)C)C)C.C[C]1[C]([C]([C]([C]1C)C)C)C.[Zr+2]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.CC1=CC=C(C=C1)S(=O)(=O)O.C[C]1[C]([C]([C]([C]1C)C)C)C.C[C]1[C]([C]([C]([C]1C)C)C)C.[Zr+2]

InChI

InChI=1S/2C10H15.2C7H8O3S.Zr/c2*1-6-7(2)9(4)10(5)8(6)3;2*1-6-2-4-7(5-3-6)11(8,9)10;/h2*1-5H3;2*2-5H,1H3,(H,8,9,10);/q;;;;+2